1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione

C11H14N4O3S — CID 79775303

IUPAC1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCCNc1ncc(CN2C(=O)C(=O)N(C)C2=O)s1
InChIInChI=1S/C11H14N4O3S/c1-3-4-12-10-13-5-7(19-10)6-15-9(17)8(16)14(2)11(15)18/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyVMMAHQCFNWHNBB-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.89
Rot. Bonds5

About 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione

1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 79775303) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID79775303
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCCNc1ncc(CN2C(=O)C(=O)N(C)C2=O)s1
InChIInChI=1S/C11H14N4O3S/c1-3-4-12-10-13-5-7(19-10)6-15-9(17)8(16)14(2)11(15)18/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyVMMAHQCFNWHNBB-UHFFFAOYSA-N
XLogP0.89
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione (CID 79775303) is 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione is CCCNc1ncc(CN2C(=O)C(=O)N(C)C2=O)s1.
What is the InChIKey of 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is VMMAHQCFNWHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-3-4-12-10-13-5-7(19-10)6-15-9(17)8(16)14(2)11(15)18/h5H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 282.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 79775303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).